From a611b69500a4876d25c463fbf313a0ac9dc9ab86 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 4 Oct 2015 11:10:38 +0700
Subject: [PATCH] Add 'boxes' example input files

---
 examples/python/boxes/build-xml.py | 118 +++++++++++++++++++++++++++++
 examples/xml/boxes/geometry.xml    |  39 ++++++++++
 examples/xml/boxes/materials.xml   |  23 ++++++
 examples/xml/boxes/settings.xml    |  16 ++++
 4 files changed, 196 insertions(+)
 create mode 100644 examples/python/boxes/build-xml.py
 create mode 100644 examples/xml/boxes/geometry.xml
 create mode 100644 examples/xml/boxes/materials.xml
 create mode 100644 examples/xml/boxes/settings.xml

diff --git a/examples/python/boxes/build-xml.py b/examples/python/boxes/build-xml.py
new file mode 100644
index 000000000..fcbe242ee
--- /dev/null
+++ b/examples/python/boxes/build-xml.py
@@ -0,0 +1,118 @@
+import openmc
+
+###############################################################################
+#                      Simulation Input File Parameters
+###############################################################################
+
+# OpenMC simulation parameters
+batches = 15
+inactive = 5
+particles = 10000
+
+
+###############################################################################
+#                 Exporting to OpenMC materials.xml File
+###############################################################################
+
+# Instantiate some Nuclides
+h1 = openmc.Nuclide('H-1')
+o16 = openmc.Nuclide('O-16')
+u235 = openmc.Nuclide('U-235')
+u238 = openmc.Nuclide('U-238')
+
+# Instantiate some Materials and register the appropriate Nuclides
+fuel1 = openmc.Material(material_id=1, name='fuel')
+fuel1.set_density('g/cc', 4.5)
+fuel1.add_nuclide(u235, 1.)
+
+fuel2 = openmc.Material(material_id=2, name='depleted fuel')
+fuel2.set_density('g/cc', 4.5)
+fuel2.add_nuclide(u238, 1.)
+
+moderator = openmc.Material(material_id=3, name='moderator')
+moderator.set_density('g/cc', 1.0)
+moderator.add_nuclide(h1, 2.)
+moderator.add_nuclide(o16, 1.)
+moderator.add_s_alpha_beta('HH2O', '71t')
+
+# Instantiate a MaterialsFile, register all Materials, and export to XML
+materials_file = openmc.MaterialsFile()
+materials_file.default_xs = '71c'
+materials_file.add_materials([fuel1, fuel2, moderator])
+materials_file.export_to_xml()
+
+
+###############################################################################
+#                 Exporting to OpenMC geometry.xml File
+###############################################################################
+
+# Instantiate planar surfaces
+x1 = openmc.XPlane(surface_id=1, x0=-10)
+x2 = openmc.XPlane(surface_id=2, x0=-7)
+x3 = openmc.XPlane(surface_id=3, x0=-4)
+x4 = openmc.XPlane(surface_id=4, x0=4)
+x5 = openmc.XPlane(surface_id=5, x0=7)
+x6 = openmc.XPlane(surface_id=6, x0=10)
+y1 = openmc.YPlane(surface_id=11, y0=-10)
+y2 = openmc.YPlane(surface_id=12, y0=-7)
+y3 = openmc.YPlane(surface_id=13, y0=-4)
+y4 = openmc.YPlane(surface_id=14, y0=4)
+y5 = openmc.YPlane(surface_id=15, y0=7)
+y6 = openmc.YPlane(surface_id=16, y0=10)
+z1 = openmc.ZPlane(surface_id=21, z0=-10)
+z2 = openmc.ZPlane(surface_id=22, z0=-7)
+z3 = openmc.ZPlane(surface_id=23, z0=-4)
+z4 = openmc.ZPlane(surface_id=24, z0=4)
+z5 = openmc.ZPlane(surface_id=25, z0=7)
+z6 = openmc.ZPlane(surface_id=26, z0=10)
+
+# Set vacuum boundary conditions on outside
+for surface in [x1, x6, y1, y6, z1, z6]:
+    surface.boundary_type = 'vacuum'
+
+# Instantiate Cells
+inner_box = openmc.Cell(cell_id=1, name='inner box')
+middle_box = openmc.Cell(cell_id=2, name='middle box')
+outer_box = openmc.Cell(cell_id=3, name='outer box')
+
+# Use each set of six planes to create solid cube regions. We can then use these
+# to create cubic shells.
+inner_cube = +x3 & -x4 & +y3 & -y4 & +z3 & -z4
+middle_cube = +x2 & -x5 & +y2 & -y5 & +z2 & -z5
+outer_cube = +x1 & -x6 & +y1 & -y6 & +z1 & -z6
+
+# Use surface half-spaces to define regions
+inner_box.region = inner_cube
+middle_box.region = middle_cube & ~inner_cube
+outer_box.region = outer_cube & ~middle_cube
+
+# Register Materials with Cells
+inner_box.fill = fuel1
+middle_box.fill = fuel2
+outer_box.fill = moderator
+
+# Instantiate root universe
+root = openmc.Universe(universe_id=0, name='root universe')
+root.add_cells([inner_box, middle_box, outer_box])
+
+# Instantiate a Geometry and register the root Universe
+geometry = openmc.Geometry()
+geometry.root_universe = root
+
+# Instantiate a GeometryFile, register Geometry, and export to XML
+geometry_file = openmc.GeometryFile()
+geometry_file.geometry = geometry
+geometry_file.export_to_xml()
+
+
+###############################################################################
+#                   Exporting to OpenMC settings.xml File
+###############################################################################
+
+# Instantiate a SettingsFile, set all runtime parameters, and export to XML
+settings_file = openmc.SettingsFile()
+settings_file.batches = batches
+settings_file.inactive = inactive
+settings_file.particles = particles
+settings_file.set_source_space('point', [0., 0., 0.])
+settings_file.export_to_xml()
diff --git a/examples/xml/boxes/geometry.xml b/examples/xml/boxes/geometry.xml
new file mode 100644
index 000000000..29867f01f
--- /dev/null
+++ b/examples/xml/boxes/geometry.xml
@@ -0,0 +1,39 @@
+<?xml version="1.0"?>
+<geometry>
+
+  <!--
+      This example consists of three nested boxes, and is meant to show how to
+      use Boolean operators to construct complex cell regions.
+  -->
+
+  <surface id="1" type="x-plane" coeffs="-10" boundary="vacuum" />
+  <surface id="2" type="x-plane" coeffs="-7" />
+  <surface id="3" type="x-plane" coeffs="-4" />
+  <surface id="4" type="x-plane" coeffs="4" />
+  <surface id="5" type="x-plane" coeffs="7" />
+  <surface id="6" type="x-plane" coeffs="10" boundary="vacuum" />
+
+  <surface id="11" type="y-plane" coeffs="-10" boundary="vacuum" />
+  <surface id="12" type="y-plane" coeffs="-7" />
+  <surface id="13" type="y-plane" coeffs="-4" />
+  <surface id="14" type="y-plane" coeffs="4" />
+  <surface id="15" type="y-plane" coeffs="7" />
+  <surface id="16" type="y-plane" coeffs="10" boundary="vacuum" />
+
+  <surface id="21" type="z-plane" coeffs="-10" boundary="vacuum" />
+  <surface id="22" type="z-plane" coeffs="-7" />
+  <surface id="23" type="z-plane" coeffs="-4" />
+  <surface id="24" type="z-plane" coeffs="4" />
+  <surface id="25" type="z-plane" coeffs="7" />
+  <surface id="26" type="z-plane" coeffs="10" boundary="vacuum" />
+
+  <!-- Innermost cube -->
+  <cell id="1" material="1" region="3 -4 13 -14 23 -24" />
+
+  <!-- Middle cubic shell -->
+  <cell id="2" material="2" region="2 -5 12 -15 22 -25 ~(3 ^ -4 ^ 13 ^ -14 ^ 23 ^ -24)" />
+
+  <!-- Outermost cubic shell -->
+  <cell id="3" material="3" region="1 -6 11 -16 21 -26 ~(1 ^ -5 ^ 12 ^ -15 ^ 22 ^ -25)" />
+
+</geometry>
diff --git a/examples/xml/boxes/materials.xml b/examples/xml/boxes/materials.xml
new file mode 100644
index 000000000..c6a591d2a
--- /dev/null
+++ b/examples/xml/boxes/materials.xml
@@ -0,0 +1,23 @@
+<?xml version="1.0"?>
+<materials>
+
+  <default_xs>71c</default_xs>
+
+  <material id="1">
+    <density value="4.5" units="g/cc" />
+    <nuclide name="U-235" ao="1.0" />
+  </material>
+
+  <material id="2">
+    <density value="4.5" units="g/cc" />
+    <nuclide name="U-238" ao="1.0" />
+  </material>
+
+  <material id="3">
+    <density value="1.0" units="g/cc" />
+    <nuclide name="H-1" ao="2.0" />
+    <nuclide name="O-16" ao="1.0" />
+    <sab name="HH2O" xs="71t" />
+  </material>
+
+</materials>
diff --git a/examples/xml/boxes/settings.xml b/examples/xml/boxes/settings.xml
new file mode 100644
index 000000000..0ac26ec4d
--- /dev/null
+++ b/examples/xml/boxes/settings.xml
@@ -0,0 +1,16 @@
+<?xml version="1.0"?>
+<settings>
+
+  <!-- Parameters for k-eigenvalue calculation -->
+  <eigenvalue>
+    <batches>15</batches>
+    <inactive>5</inactive>
+    <particles>10000</particles>
+  </eigenvalue>
+
+  <!-- Starting source -->
+  <source>
+    <space type="point" parameters="0. 0. 0." />
+  </source>
+
+</settings>